(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine

C13H15F2NO — CID 66519589

IUPAC(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
SMILESFc1c([C@H]2CCCN2)cc2c(c1F)OCCC2
InChIInChI=1S/C13H15F2NO/c14-11-9(10-4-1-5-16-10)7-8-3-2-6-17-13(8)12(11)15/h7,10,16H,1-6H2/t10-/m1/s1
InChIKeyIWMBFBUERVLTMI-SNVBAGLBSA-N
MW239.26 g/mol
LogP2.71
Rot. Bonds1

About (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine

(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine (PubChem CID 66519589) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
PubChem CID66519589
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
SMILESFc1c([C@H]2CCCN2)cc2c(c1F)OCCC2
InChIInChI=1S/C13H15F2NO/c14-11-9(10-4-1-5-16-10)7-8-3-2-6-17-13(8)12(11)15/h7,10,16H,1-6H2/t10-/m1/s1
InChIKeyIWMBFBUERVLTMI-SNVBAGLBSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519309
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564
(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
CID 66518877
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519325
(2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66518876
(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 66519243
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperidine
CID 117338941
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine
CID 117319500
(2S)-2-(5-fluoro-3,4-dihydro-2H-chromen-7-yl)pyrrolidine
CID 66519323
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
CID 117381261
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117480070

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
The IUPAC name of (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine (CID 66519589) is (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine.
What is the SMILES notation for (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
The canonical SMILES for (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine is Fc1c([C@H]2CCCN2)cc2c(c1F)OCCC2.
What is the InChIKey of (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
The InChIKey is IWMBFBUERVLTMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-11-9(10-4-1-5-16-10)7-8-3-2-6-17-13(8)12(11)15/h7,10,16H,1-6H2/t10-/m1/s1.
What are the key properties of (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine has a molecular weight of 239.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine is sourced from PubChem (CID 66519589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).